SCHEMBL2823690

SCHEMBL2823690

CC(C)(Oc1ccc(F)cc1-n1cccn1)C(=N)N(C#N)C1C2CC3CC1CC(S(C)(=O)=O)(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.44
HSD11B2 P80365 12/20 0.44
SCN9A Q15858 1/20 0.31
ADRA1A P35348 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2829684 0.84 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL2826237 0.83 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2826810 0.83 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL2827032 0.81 HSD11B1 (0.49) HSD11B1HSD11B2
SCHEMBL2826298 0.81 HSD11B1 (0.53) HSD11B1HSD11B2
SCHEMBL2826300 0.81 HSD11B1 (0.53) HSD11B1HSD11B2
SCHEMBL2826302 0.81 HSD11B1 (0.45) HSD11B1HSD11B2SCN9A
SCHEMBL2823874 0.79 HSD11B1 (0.61) HSD11B1HSD11B2
SCHEMBL2827460 0.79 HSD11B1 (0.49) HSD11B1HSD11B2
SCHEMBL2824659 0.79 HSD11B1 (0.48) HSD11B1HSD11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed